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Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C24, C24O5and the interaction of C24O5with NO2gas molecule. It shows the energy gap of coronene C243.5 eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C24Oxwhere x = 1–7 was from 0.89 eV to 1.6862 eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1 eV and 2.2 eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO2longitudinal optical (LO) modes of 1 585, 1 582 and 1 600 cm−1, respectively. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25°C and 100°C were calculated. The activation energy of C24O5with nitrogen dioxide decreases with increasing temperature.

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Publication Date
Sat Dec 15 2018
Journal Name
Revista De Chimie
Determination of Ethanol in Fermented Broth by Headspace Gas Chromatography using Capillary Column
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The gas chromatography (GC) method in analytical chemistry is a quick and accurate method to detect volatile components like ethanol. A method for determining volatile components known as Headspace chromatography (HS-GC) was developed along with an internal standard method (ISM) to identify ethanol in fermented broth in the laboratory. The aim of this research is determining the concentration of ethanol in fermented broth using capillary column (ZB-1). This method can analyze ethanol concentrations in the fermented medium broth ranging from 10 to 200 g/L. The validation of this method was done in order to obtain the results to be of high precision and the significant, precision was represented as the relative standard deviation (RSD) which

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Publication Date
Sat Jan 05 2019
Journal Name
Iraqi Journal Of Physics
Characterization of (SnO2)1-x(TiO2:CuO)x films as NH3 gas sensor
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Tin dioxide (SnO2) were mixed with (TiO2 and CuO) with concentration ratio (50, 60, 70, 80 and 90) wt% films deposited on single crystal Si and glass substrates at (523 K) by spray pyrolysis technique from aqueous solutions containing tin (II) dichloride Dihydrate (SnCl2, 2H2O), dehydrate copper chloride (CuCl2.2H2O) and Titanium(III) chloride (TiCl3) with molarities (0.2 M). The results of electrical properties and analysis of gas sensing properties of films are presented in this report. Hall measurement showed that films were n-type converted to p- type as titanium and copper oxide added at (50) % ratio. The D.C conductivity measurements referred that there are two mechanisms responsible about the conductivity, hence it possess two act

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Publication Date
Tue Jan 01 2019
Journal Name
Journal Of Global Pharma Technology
Modified ZnO for efficient photo-catalysis by Silver/Graphite oxide nanoparticles
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Publication Date
Tue Mar 22 2016
Journal Name
Offshore Technology Conference Asia
Nanofluids for Enhanced Oil Recovery Processes: Wettability Alteration Using Zirconium Oxide
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Ultimate oil recovery and displacement efficiency at the pore-scale are controlled by the rock wettability thus there is a growing interest in the wetting behaviour of reservoir rocks as production from fractured oil-wet or mixed-wet limestone formations have remained a key challenge. Conventional waterflooding methods are inefficient in such formation due to poor spontaneous imbibition of water into the oil-wet rock capillaries. However, altering the wettability to water-wet could yield recovery of significant amounts of additional oil thus this study investigates the influence of nanoparticles on wettability alteration. The efficiency of various formulated zirconium-oxide (ZrO2) based nanofluids at different nanoparticle concentrations (0

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Publication Date
Fri Dec 01 2023
Journal Name
Baghdad Science Journal
Removing Toxic Dyes from Aqueous Medium by Trichoderma-Graphain Oxide Aerogel
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Toxic dyes are commonly discharged into waste waters and dyes are extensively used in the textile industry so it is necessary to find out efficient and eco-friendly method for treating waste waters resulting from industrial effluences. To achieve this aim the fungus Trichoderma sp. is employed into two lines: first line was self – immobilized fungal pellets in (Czapek – Dox medium) to adsorbs two dyes crystal violet, congo red by concentrations 0.01, 0.02, 0.03, 0.04, 0.05, 0.06 mg/L to both dyes, PH 2, room temperature with shaker in ( hrs.2,hrs.4,hrs.24) , by Uv- Visible spectrum . the removal efficiency of 0.05 mg/L crystal violet by Trichoderma sp was 96%. but there was no remova

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Publication Date
Thu Jan 02 2020
Journal Name
Journal Of The College Of Languages (jcl)
Prepositions in the System of Analytical Unites of Modern Russian Language: Functional - Semantic Aspects: Отыменные предлоги В системе аналитических единиц русского языка: функционально-семантический аспект
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The present study deals with prepositions in the patterns of analytical unite of modern Russian language out of the functional -semantic aspects, which enhances the lexical semantics.  The study, also, sheds light on the prepositions of semantic derivation that adds value to the meaning of the unites, promotes the appearance of new forms that match the more important diverse complex analytical unit.

В статье рассмотрены отыменные предлоги в системе литических единиц русского языка с позиций функционального и семантического аспектов. Репрезентирована специфика функциониров

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Publication Date
Fri Oct 07 2022
Journal Name
Himalayan Economics And Business Management
Analyzing and Measuring the Relationship between Monetary Policy and Monetary Stability in the Iraqi Economy for the Period 1990-2020
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Monetary policy occupies a prominent role in achieving monetary stability by adjusting the growth rates of the number of available means of payment in line with changes in the size of the gross domestic product in the country and expressed by the monetary stability coefficient agreed upon by the International Monetary Fund, a term that hides the fact that there is a rate of change in the volume of commodity or real production which expresses the levels of aggregate supply in the economy, which corresponds to the quantities of cash in circulation, which represent a net purchasing power and stimulate aggregate demand, which completes the picture of the existence of the market mechanism, expressed by the monetary or economic stability

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Publication Date
Fri Jan 01 2016
Journal Name
Iosr Journal Of Applied Physics (iosr-jap)
Influence of concentration on the structural, optical and electrical properties of TiO 2 : CuO thin film Fabricate by PLD
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In this work, Titanium oxide thin films doped with different concentration of CuO (0,5,10, 15,20) %wt were prepared by pulse laser deposition(PLD) technique on glass substrates at room temperature with constant deposition parameter such as : pulse (Nd:YAG), laser with λ=1064 nm, constant energy 800 mJ , repetition rate 6 Hz and No. of pulse (500). The structure , optical and electrical properties were studied . The results of X-ray diffraction( XRD) confirmed that the film grown by this technique have good crystalline tetragonal mixed anatase and rutile phase structure, The preferred orientation was along (110) direction for Rutile phase. The optical properties of the films were studied by UV-VIS spectrum in the range of (360-1100)

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Publication Date
Thu Jan 04 2024
Journal Name
Al-rafidain Journal Of Medical Sciences ( Issn 2789-3219 )
Evaluation of the Relationship between Osteoporosis and Body Fat Mass of the Upper and Lower Extremities by Dual-Energy X-Ray Absorptiometry
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Background: Using dual-energy X-ray absorptiometry, body fat mass has been determined. The assessment of body fat mass was conducted utilizing dual-energy X-ray absorptiometry analysis of the pelvis and vertebral column. While it is acknowledged that osteoporosis can impact both body fat mass and bone mineral density, the particulars of this relationship currently remain uncertain. Objective: The aim of the present investigation is to assess gender differences in the effects of osteoporosis on the body fat mass of the upper and lower extremities. Method: 170 individuals participated (85 males and 85 females) in this study. Patients who presented with bone discomfort consisted of 40 males and 40 females. In addition, 90 apparently he

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Publication Date
Fri Oct 01 2021
Journal Name
International Journal Of Drug Delivery Technology
Synthesis and Preliminary Antimicrobial Activity Evaluation of New Amide Derivatives of 2-aminobenzothiazole
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